#METABOLOMICS WORKBENCH fahdq_20230417_144128 DATATRACK_ID:3867 STUDY_ID:ST002567 ANALYSIS_ID:AN004228 PROJECT_ID:PR001654 VERSION 1 CREATED_ON April 19, 2023, 7:59 am #PROJECT PR:PROJECT_TITLE Metabolomics of Human islets treated with DHT and high-glucose challenge PR:PROJECT_SUMMARY Dihydrotestosterone (DHT) driven Androgen receptor activation in pancreatic PR:PROJECT_SUMMARY beta-cells leads to the amplification of GLP-1R-mediated insulin exocytosis. PR:PROJECT_SUMMARY Here we study the impact of DHT on the metabolic architecture of human PR:PROJECT_SUMMARY pancreatic islets upon stimulation with DHT at high (16.7mM) and low (2.8mM) PR:PROJECT_SUMMARY Glucose. PR:INSTITUTE Tulane University PR:LAST_NAME Qadir PR:FIRST_NAME Mirza Muhammad Fahd PR:ADDRESS SOM RM2301/Endocrinology, 333 S, Liberty, New Orleans, LA, 70112, USA PR:EMAIL mqadir@tulane.edu PR:PHONE 5049884646 #STUDY ST:STUDY_TITLE Metabolomics of Human islets treated with DHT and high-glucose challenge ST:STUDY_SUMMARY Dihydrotestosterone (DHT) driven Androgen receptor activation in pancreatic ST:STUDY_SUMMARY beta-cells leads to the amplification of GLP-1R-mediated insulin exocytosis. ST:STUDY_SUMMARY Here we study the impact of DHT on the metabolic architecture of human ST:STUDY_SUMMARY pancreatic islets upon stimulation with DHT at high (16.7mM) and low (2.8mM) ST:STUDY_SUMMARY Glucose. ST:INSTITUTE Tulane University School of Medicine ST:LAST_NAME Qadir ST:FIRST_NAME Mirza Muhammad Fahd ST:ADDRESS SOM RM2301/Endocrinology ST:EMAIL mqadir@tulane.edu ST:PHONE 5049884646 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS E1 2021-10-01_028_A1_E1 Treatment:2.8G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A1; RAW_FILE_NAME=2021-10-01_028_A1_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_033_A2_E1 Treatment:2.8G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A2; RAW_FILE_NAME=2021-10-01_033_A2_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_027_A3_E1 Treatment:2.8G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A3; RAW_FILE_NAME=2021-10-01_027_A3_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_025_B1_E1 Treatment:16.7G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B1; RAW_FILE_NAME=2021-10-01_025_B1_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_031_B2_E1 Treatment:16.7G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B2; RAW_FILE_NAME=2021-10-01_031_B2_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_016_B3_E1 Treatment:16.7G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B3; RAW_FILE_NAME=2021-10-01_016_B3_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_032_C1_E1 Treatment:2.8G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C1; RAW_FILE_NAME=2021-10-01_032_C1_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_021_C2_E1 Treatment:2.8G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C2; RAW_FILE_NAME=2021-10-01_021_C2_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_023_C3_E1 Treatment:2.8G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C3; RAW_FILE_NAME=2021-10-01_023_C3_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_010_D1_E1 Treatment:16.7G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D1; RAW_FILE_NAME=2021-10-01_010_D1_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_014_D2_E1 Treatment:16.7G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D2; RAW_FILE_NAME=2021-10-01_014_D2_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_034_D3_E1 Treatment:16.7G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D3; RAW_FILE_NAME=2021-10-01_034_D3_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_017_E1_E1 Treatment:2.8G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E1; RAW_FILE_NAME=2021-10-01_017_E1_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_024_E2_E1 Treatment:2.8G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E2; RAW_FILE_NAME=2021-10-01_024_E2_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_020_E3_E1 Treatment:2.8G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E3; RAW_FILE_NAME=2021-10-01_020_E3_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_022_F1_E1 Treatment:16.7G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F1; RAW_FILE_NAME=2021-10-01_022_F1_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_013_F2_E1 Treatment:16.7G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F2; RAW_FILE_NAME=2021-10-01_013_F2_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_035_F3_E1 Treatment:16.7G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F3; RAW_FILE_NAME=2021-10-01_035_F3_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_015_G1_E1 Treatment:2.8G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G1; RAW_FILE_NAME=2021-10-01_015_G1_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_029_G2_E1 Treatment:2.8G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G2; RAW_FILE_NAME=2021-10-01_029_G2_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_011_G3_E1 Treatment:2.8G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G3; RAW_FILE_NAME=2021-10-01_011_G3_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_026_H1_E1 Treatment:16.7G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H1; RAW_FILE_NAME=2021-10-01_026_H1_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_019_H2_E1 Treatment:16.7G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H2; RAW_FILE_NAME=2021-10-01_019_H2_E1.mzML SUBJECT_SAMPLE_FACTORS E1 2021-10-01_012_H3_E1 Treatment:16.7G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H3; RAW_FILE_NAME=2021-10-01_012_H3_E1.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_014_A1_E2 Treatment:2.8G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A1; RAW_FILE_NAME=2021-11-29_014_A1_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_013_A2_E2 Treatment:2.8G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A2; RAW_FILE_NAME=2021-11-29_013_A2_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_023_A3_E2 Treatment:2.8G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A3; RAW_FILE_NAME=2021-11-29_023_A3_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_012_B1_E2 Treatment:16.7G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B1; RAW_FILE_NAME=2021-11-29_012_B1_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_019_B2_E2 Treatment:16.7G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B2; RAW_FILE_NAME=2021-11-29_019_B2_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_008_B3_E2 Treatment:16.7G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B3; RAW_FILE_NAME=2021-11-29_008_B3_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_021_C1_E2 Treatment:2.8G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C1; RAW_FILE_NAME=2021-11-29_021_C1_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_026_C2_E2 Treatment:2.8G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C2; RAW_FILE_NAME=2021-11-29_026_C2_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_027_C3_E2 Treatment:2.8G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C3; RAW_FILE_NAME=2021-11-29_027_C3_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_006_D1_E2 Treatment:16.7G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D1; RAW_FILE_NAME=2021-11-29_006_D1_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_010_D2_E2 Treatment:16.7G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D2; RAW_FILE_NAME=2021-11-29_010_D2_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_017_D3_E2 Treatment:16.7G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D3; RAW_FILE_NAME=2021-11-29_017_D3_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_009_E1_E2 Treatment:2.8G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E1; RAW_FILE_NAME=2021-11-29_009_E1_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_028_E2_E2 Treatment:2.8G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E2; RAW_FILE_NAME=2021-11-29_028_E2_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_020_E3_E2 Treatment:2.8G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E3; RAW_FILE_NAME=2021-11-29_020_E3_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_011_F1_E2 Treatment:16.7G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F1; RAW_FILE_NAME=2021-11-29_011_F1_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_022_F2_E2 Treatment:16.7G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F2; RAW_FILE_NAME=2021-11-29_022_F2_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_025_F3_E2 Treatment:16.7G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F3; RAW_FILE_NAME=2021-11-29_025_F3_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_007_G1_E2 Treatment:2.8G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G1; RAW_FILE_NAME=2021-11-29_007_G1_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_015_G2_E2 Treatment:2.8G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G2; RAW_FILE_NAME=2021-11-29_015_G2_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_004_G3_E2 Treatment:2.8G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G3; RAW_FILE_NAME=2021-11-29_004_G3_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_024_H1_E2 Treatment:16.7G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H1; RAW_FILE_NAME=2021-11-29_024_H1_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_005_H2_E2 Treatment:16.7G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H2; RAW_FILE_NAME=2021-11-29_005_H2_E2.mzML SUBJECT_SAMPLE_FACTORS E2 2021-11-29_018_H3_E2 Treatment:16.7G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H3; RAW_FILE_NAME=2021-11-29_018_H3_E2.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_050_A1_E3 Treatment:2.8G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A1; RAW_FILE_NAME=2021-11-29_050_A1_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_041_A2_E3 Treatment:2.8G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A2; RAW_FILE_NAME=2021-11-29_041_A2_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_030_A3_E3 Treatment:2.8G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A3; RAW_FILE_NAME=2021-11-29_030_A3_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_038_B1_E3 Treatment:16.7G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B1; RAW_FILE_NAME=2021-11-29_038_B1_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_044_B2_E3 Treatment:16.7G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B2; RAW_FILE_NAME=2021-11-29_044_B2_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_053_B3_E3 Treatment:16.7G_EtoH_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B3; RAW_FILE_NAME=2021-11-29_053_B3_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_046_C1_E3 Treatment:2.8G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C1; RAW_FILE_NAME=2021-11-29_046_C1_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_047_C2_E3 Treatment:2.8G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C2; RAW_FILE_NAME=2021-11-29_047_C2_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_054_C3_E3 Treatment:2.8G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C3; RAW_FILE_NAME=2021-11-29_054_C3_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_051_D1_E3 Treatment:16.7G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D1; RAW_FILE_NAME=2021-11-29_051_D1_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_049_D2_E3 Treatment:16.7G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D2; RAW_FILE_NAME=2021-11-29_049_D2_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_032_D3_E3 Treatment:16.7G_DHT_30min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D3; RAW_FILE_NAME=2021-11-29_032_D3_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_052_E1_E3 Treatment:2.8G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E1; RAW_FILE_NAME=2021-11-29_052_E1_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_048_E2_E3 Treatment:2.8G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E2; RAW_FILE_NAME=2021-11-29_048_E2_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_045_E3_E3 Treatment:2.8G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E3; RAW_FILE_NAME=2021-11-29_045_E3_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_033_F1_E3 Treatment:16.7G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F1; RAW_FILE_NAME=2021-11-29_033_F1_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_034_F2_E3 Treatment:16.7G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F2; RAW_FILE_NAME=2021-11-29_034_F2_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_036_F3_E3 Treatment:16.7G_EtoH_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F3; RAW_FILE_NAME=2021-11-29_036_F3_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_039_G1_E3 Treatment:2.8G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G1; RAW_FILE_NAME=2021-11-29_039_G1_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_040_G2_E3 Treatment:2.8G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G2; RAW_FILE_NAME=2021-11-29_040_G2_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_037_G3_E3 Treatment:2.8G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G3; RAW_FILE_NAME=2021-11-29_037_G3_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_043_H1_E3 Treatment:16.7G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H1; RAW_FILE_NAME=2021-11-29_043_H1_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_031_H2_E3 Treatment:16.7G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H2; RAW_FILE_NAME=2021-11-29_031_H2_E3.mzML SUBJECT_SAMPLE_FACTORS E3 2021-11-29_035_H3_E3 Treatment:16.7G_DHT_60min Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H3; RAW_FILE_NAME=2021-11-29_035_H3_E3.mzML #COLLECTION CO:COLLECTION_SUMMARY Following the incubation period, tubes were briefly centrifuged at low speed and CO:COLLECTION_SUMMARY media was withdrawn. 150mM ammonium acetate in water were added to rinse CO:COLLECTION_SUMMARY residual media (150mM ammonium acetate is an osmolarity-matching, mass CO:COLLECTION_SUMMARY spectrometry compatible rinse buffer with near-neutral pH). Tubes were CO:COLLECTION_SUMMARY centrifuged, supernatant was withdrawn, and they were frozen by immersion in CO:COLLECTION_SUMMARY liquid nitrogen and stored at -80C prior to extraction. CO:SAMPLE_TYPE Pancreas CO:VOLUMEORAMOUNT_COLLECTED 500-1000uL CO:STORAGE_CONDITIONS -80℃ CO:STORAGE_VIALS 1ml Eppendorf Tubes CO:COLLECTION_TUBE_TEMP -40C CO:ADDITIVES Ammonium acetate 150mM #TREATMENT TR:TREATMENT_SUMMARY Human islets were treated overnight with 10nM DHT or EtOH in a humidified TR:TREATMENT_SUMMARY incubator containing 4% CO2 at 37°C and then batched in groups of 100 islets in TR:TREATMENT_SUMMARY microcentrifuge tubes and treated for either 30 or 60 minutes with media TR:TREATMENT_SUMMARY containing either 2.8mM or 16.7 mM 13C6 glucose; the same DHT or EtOH TR:TREATMENT_SUMMARY concentrations were maintained. TR:TREATMENT_COMPOUND DHT TR:TREATMENT_DOSE 10nM TR:TREATMENT_DOSEVOLUME 1ul per 1ml media TR:TREATMENT_DOSEDURATION 24 hours prior to experiment TR:TREATMENT_VEHICLE Ethanol #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sample prep summary: Islet samples were extracted in 200μL of ice-cold 8:1:1 SP:SAMPLEPREP_SUMMARY methanol:water:chloroform, with tissue disruption aided by immediate probe SP:SAMPLEPREP_SUMMARY sonication for 20 seconds with a Branson 450 Sonifier set to output level 2, SP:SAMPLEPREP_SUMMARY duty cycle 20%. The disrupted samples were allowed to incubate on ice for 10 SP:SAMPLEPREP_SUMMARY minutes and were then centrifuged for 5 min at 14,000 xg to pellet cell debris. SP:SAMPLEPREP_SUMMARY 180μL of supernatant were dried under a gentle stream of nitrogen gas at room SP:SAMPLEPREP_SUMMARY temperature, and were then reconstituted in 45μL of 4:1 water:methanol and SP:SAMPLEPREP_SUMMARY transferred to autosampler vials for analysis. Extraction method: Single-phase SP:SAMPLEPREP_SUMMARY extraction using 8:1:1 methanol:water:chloroform Extract storage: -80°C until SP:SAMPLEPREP_SUMMARY extraction; 4°C after reconstitution SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACTION_METHOD Single-phase extraction using 8:1:1 methanol:water:chloroform SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION -80°C until extraction; 4°C after reconstitution #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 6530 qTOF CH:COLUMN_NAME Agilent Zorbax Extend C18 (150 x 2.1mm, 1.8um) with matched guard column CH:SOLVENT_A 97% water/3% methanol; 10 mM tributylamine; 5mM acetic acid CH:SOLVENT_B 100% methanol; 10 mM tributylamine; 5mM acetic acid CH:FLOW_GRADIENT 0-2min hold 100/0/0 (%A/%B/%C); 2-12 min linear to 1/99/0, 12-20 min hold CH:FLOW_GRADIENT 1/99/0, 20-20.5 min linear to 5/0/95, 20.5-26.1 5/0/95, 26.1-26.3 min linear to CH:FLOW_GRADIENT 100/0/0, 26.3-33 min hold 100/0/0 CH:FLOW_RATE 0-20.5 min hold 0.25mL/min, [18 min switch flow direction to backflush], CH:FLOW_RATE 20.5-21.5 linear to 0.4mL/min, 21.5-22.3 linear to 0.8 mL/min, [26 min switch CH:FLOW_RATE flow direction to forward] 26-26.1 linear to 0.6mL/min, 26.1-26.3 linear to 0.4 CH:FLOW_RATE mL/min, 26.3-31.8 min hold 0.4mL/min, 31.8-32 min linear to 0.25mL/min CH:COLUMN_TEMPERATURE 35°C CH:METHODS_FILENAME experiment_metadata #ANALYSIS AN:ANALYSIS_TYPE MS AN:OPERATOR_NAME Dr. Charles Evans PhD #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS MS acquisition was performed in negative ion mode, scan rate 2 spectra/sec, mass MS:MS_COMMENTS range 50-1200 m/z. Source parameters were: drying gas temperature 250°C, drying MS:MS_COMMENTS gas flow rate 13 L/min, nebulizer pressure 35 psig, sheath gas temp 325°C and MS:MS_COMMENTS flow 12 l/min, capillary voltage 3500V, internal reference mass correction MS:MS_COMMENTS enabled. Data analysis was performed using Agilent Profinder 10.0 software in MS:MS_COMMENTS batch isotopologue extraction mode with automated natural isotope abundance MS:MS_COMMENTS correction enabled. Compound identification was performed by matching accurate MS:MS_COMMENTS mass and retention time to those of authentic standards analyzed using the same MS:MS_COMMENTS method. MS:CAPILLARY_VOLTAGE 3500V MS:DRY_GAS_FLOW 13L/min MS:DRY_GAS_TEMP 250 C MS:FRAGMENT_VOLTAGE 150V MS:NEBULIZER 35 psig #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS EicCoreArea/Peak Area MS_METABOLITE_DATA_START Samples 2021-10-01_028_A1_E1 2021-10-01_033_A2_E1 2021-10-01_027_A3_E1 2021-11-29_014_A1_E2 2021-11-29_013_A2_E2 2021-11-29_023_A3_E2 2021-11-29_050_A1_E3 2021-11-29_041_A2_E3 2021-11-29_030_A3_E3 2021-10-01_025_B1_E1 2021-10-01_031_B2_E1 2021-10-01_016_B3_E1 2021-11-29_012_B1_E2 2021-11-29_019_B2_E2 2021-11-29_008_B3_E2 2021-11-29_038_B1_E3 2021-11-29_044_B2_E3 2021-11-29_053_B3_E3 2021-10-01_032_C1_E1 2021-10-01_021_C2_E1 2021-10-01_023_C3_E1 2021-11-29_021_C1_E2 2021-11-29_026_C2_E2 2021-11-29_027_C3_E2 2021-11-29_046_C1_E3 2021-11-29_047_C2_E3 2021-11-29_054_C3_E3 2021-10-01_010_D1_E1 2021-10-01_014_D2_E1 2021-10-01_034_D3_E1 2021-11-29_006_D1_E2 2021-11-29_010_D2_E2 2021-11-29_017_D3_E2 2021-11-29_051_D1_E3 2021-11-29_049_D2_E3 2021-11-29_032_D3_E3 2021-10-01_017_E1_E1 2021-10-01_024_E2_E1 2021-10-01_020_E3_E1 2021-11-29_009_E1_E2 2021-11-29_028_E2_E2 2021-11-29_020_E3_E2 2021-11-29_052_E1_E3 2021-11-29_048_E2_E3 2021-11-29_045_E3_E3 2021-10-01_022_F1_E1 2021-10-01_013_F2_E1 2021-10-01_035_F3_E1 2021-11-29_011_F1_E2 2021-11-29_022_F2_E2 2021-11-29_025_F3_E2 2021-11-29_033_F1_E3 2021-11-29_034_F2_E3 2021-11-29_036_F3_E3 2021-10-01_015_G1_E1 2021-10-01_029_G2_E1 2021-10-01_011_G3_E1 2021-11-29_007_G1_E2 2021-11-29_015_G2_E2 2021-11-29_004_G3_E2 2021-11-29_039_G1_E3 2021-11-29_040_G2_E3 2021-11-29_037_G3_E3 2021-10-01_026_H1_E1 2021-10-01_019_H2_E1 2021-10-01_012_H3_E1 2021-11-29_024_H1_E2 2021-11-29_005_H2_E2 2021-11-29_018_H3_E2 2021-11-29_043_H1_E3 2021-11-29_031_H2_E3 2021-11-29_035_H3_E3 Factors Treatment:2.8G_EtoH_30min Treatment:2.8G_EtoH_30min Treatment:2.8G_EtoH_30min Treatment:2.8G_EtoH_30min Treatment:2.8G_EtoH_30min Treatment:2.8G_EtoH_30min Treatment:2.8G_EtoH_30min Treatment:2.8G_EtoH_30min Treatment:2.8G_EtoH_30min Treatment:16.7G_EtoH_30min Treatment:16.7G_EtoH_30min Treatment:16.7G_EtoH_30min Treatment:16.7G_EtoH_30min Treatment:16.7G_EtoH_30min Treatment:16.7G_EtoH_30min Treatment:16.7G_EtoH_30min Treatment:16.7G_EtoH_30min Treatment:16.7G_EtoH_30min Treatment:2.8G_DHT_30min Treatment:2.8G_DHT_30min Treatment:2.8G_DHT_30min Treatment:2.8G_DHT_30min Treatment:2.8G_DHT_30min Treatment:2.8G_DHT_30min Treatment:2.8G_DHT_30min Treatment:2.8G_DHT_30min Treatment:2.8G_DHT_30min Treatment:16.7G_DHT_30min Treatment:16.7G_DHT_30min Treatment:16.7G_DHT_30min Treatment:16.7G_DHT_30min Treatment:16.7G_DHT_30min Treatment:16.7G_DHT_30min Treatment:16.7G_DHT_30min Treatment:16.7G_DHT_30min Treatment:16.7G_DHT_30min Treatment:2.8G_EtoH_60min Treatment:2.8G_EtoH_60min Treatment:2.8G_EtoH_60min Treatment:2.8G_EtoH_60min Treatment:2.8G_EtoH_60min Treatment:2.8G_EtoH_60min Treatment:2.8G_EtoH_60min Treatment:2.8G_EtoH_60min Treatment:2.8G_EtoH_60min Treatment:16.7G_EtoH_60min Treatment:16.7G_EtoH_60min Treatment:16.7G_EtoH_60min Treatment:16.7G_EtoH_60min Treatment:16.7G_EtoH_60min Treatment:16.7G_EtoH_60min Treatment:16.7G_EtoH_60min Treatment:16.7G_EtoH_60min Treatment:16.7G_EtoH_60min Treatment:2.8G_DHT_60min Treatment:2.8G_DHT_60min Treatment:2.8G_DHT_60min Treatment:2.8G_DHT_60min Treatment:2.8G_DHT_60min Treatment:2.8G_DHT_60min Treatment:2.8G_DHT_60min Treatment:2.8G_DHT_60min Treatment:2.8G_DHT_60min Treatment:16.7G_DHT_60min Treatment:16.7G_DHT_60min Treatment:16.7G_DHT_60min Treatment:16.7G_DHT_60min Treatment:16.7G_DHT_60min Treatment:16.7G_DHT_60min Treatment:16.7G_DHT_60min Treatment:16.7G_DHT_60min Treatment:16.7G_DHT_60min Histidine 319874 337169 300530 205704 280963 179009 210959 183703 204199 879493 904510 671130 564288 508260 561467 504755 501421 628191 333589 339922 290046 207668 196665 213717 176913 176168 179352 911041 633673 664913 530155 518207 599240 560933 570721 663336 309187 313469 402556 228959 212478 230706 188476 221799 192587 1528599 914674 793958 506304 527856 588051 548383 492804 477562 318369 334921 331961 204254 245020 206613 180779 229876 202641 678014 1282056 1061847 596132 587140 535518 574846 559426 588609 Asparagine 700305 850905 706689 257916 242451 344417 138619 154974 119118 879228 1200540 1104074 506996 485864 406949 321231 274363 85450 734452 622581 659709 406179 402112 270489 194029 187038 109677 844697 1149571 0 316174 420221 0 337437 211342 0 643364 687749 821365 245116 366915 217239 191311 133003 303134 1130160 823527 0 551138 451278 0 349284 113127 0 707340 601454 780522 309463 390841 291267 268026 125007 107369 1010357 724386 946572 465839 470251 496134 295490 77791 178429 Glucose 12248922 19599759 13192903 2045900 987368 4238483 7834722 6663910 6197148 20936165 14778266 29501604 4074267 8935499 3524346 17215802 17133543 23285065 17487208 16420750 13903535 3963321 3713171 2067302 11141750 8917228 6632550 24249744 26067673 24723283 2978616 2597116 3820831 19814067 19275367 22960763 15767731 13077586 15122943 987287 1418506 2108740 7597790 7700414 9542916 10188499 22512929 22001383 9460138 3146107 3221923 19951678 18413373 16645057 18638814 10188079 18154997 2350446 2846442 2324703 7632754 6647996 6205883 26185100 26204397 20167421 3354976 1645403 10441756 18831123 18541795 20141021 Glutamine 3988676 5305576 4544906 821045 706155 1153111 450911 399427 312169 5069951 11180850 5293212 1078819 1517111 1486666 706050 529248 399792 3726887 3646403 4002733 1346448 1197627 925439 754135 612268 449603 4754783 7914587 5066648 781351 1256876 879850 790344 554082 642166 4056452 4062322 5218435 671111 730284 1564834 472517 369884 624560 5274208 4404734 6693523 1432865 1360796 1067434 680346 1456862 494790 4560206 3437096 4557826 897909 1158723 865413 1001091 176740 174918 5438869 3807394 5574256 1398129 1072240 1028369 466589 597098 432290 Taurine 34754064 68866888 11983781 15438406 7315854 30302342 12352753 13636102 7933924 3932853 69367576 60737068 15990319 25772676 20685140 20738582 18155364 13309686 48782784 43622400 40266759 27207800 28032634 15347787 27028878 21695532 19132916 57438992 67350448 58656016 17211866 22252378 18189234 23214550 17535082 14755923 56262608 34786430 64428516 6500173 8900435 12858815 18029910 10991980 18175840 67225624 54852104 55596392 16326796 22544808 11013887 26815200 27171252 11404451 59797948 52271292 80728912 19131698 20664504 14509174 15391972 5852949 8271053 39213863 37607092 59174420 11382083 15267349 18186052 17305190 15211195 15385331 Alanine 561633 1207719 616912 582768 59810 31405 265156 16602 397737 539918 774989 724737 81918 86640 82578 169149 82338 40911 1035493 603881 602064 6373 198746 155070 52382 80827 32275 678808 695780 1011251 366368 106273 251532 43441 222143 241197 956273 513079 1000937 52458 32355 67199 38562 26447 313085 642723 433162 1496100 305226 23746 100677 100907 37051 435787 1029619 531787 1118376 37420 56474 80859 66518 50529 294265 603407 455722 1007416 356605 84087 15423 27955 56289 284066 Valine 2994167 3553050 2751233 282872 384521 572555 203787 141877 95316 2264543 2909356 3291733 296671 502041 536566 256844 180803 155319 2591063 2570592 2650824 593980 621832 331068 392899 208376 77667 1949914 3261964 2855546 318009 431594 331474 318161 166597 171627 2984150 2475590 3448610 305384 333383 487299 214420 101495 258022 2607936 2177991 2375033 537788 688783 286894 342336 431197 90201 3004772 2036257 2999710 456591 685117 481573 363851 199383 144473 2922419 1308358 2110583 476017 515370 492834 180552 144496 187968 Methionine 940199 1243558 967918 139643 269815 258106 100706 75742 98784 1413928 1929684 1362850 205358 15575 390318 137394 127639 161734 967387 1246027 982366 293480 353353 201142 252800 149925 26705 1055846 1285457 1223255 195473 206684 200263 129879 142741 175873 1207049 1039860 1346597 157526 157561 243783 97353 107771 184970 1559536 1041080 1826441 236468 340774 212468 169882 206237 113057 1275452 912751 1230240 217537 367651 271428 147800 67793 66463 970038 1123030 1281254 301423 284801 225973 68180 136485 137370 Hypoxanthine 1900768 1231536 506992 4431 365589 7689 18584 55570 28589 914787 879747 1076386 15522 98205 21368 73895 64187 10740 347069 442305 1298581 178360 177742 72118 38951 25177 22767 873701 1026113 1289653 6343 7057 88410 20068 12357 10777 1427663 2181180 2683498 12812 36096 114321 116682 4182 130934 2016690 1620157 1550613 13627 95817 79131 190311 18155 23363 867433 1015910 2495090 154550 172675 149105 147491 48741 13902 1830396 973256 1082766 8676 62481 19474 20203 54272 146778 Xanthine 4478750 3427685 1511205 261822 1882143 727664 254287 275153 224198 2576092 3461886 3930312 317835 386650 416616 368408 267056 287950 2535085 2065468 3533011 833887 926760 535459 617228 383528 30610 2893961 3412319 3371821 466069 456734 7646 475207 250332 398954 3408403 4931145 6808153 319548 340356 498386 487497 15184 752316 5642006 3470363 3760708 496177 527446 359777 762273 874848 309463 2898834 3055999 5615230 714066 969409 787664 428237 246748 168744 3880615 2521765 3314734 634048 362676 607738 316783 290867 393594 Leucine/Isoleucine 22371323 24872130 21946950 2577242 7095874 4161749 1829841 1230827 1644362 21679698 29118641 25190435 1428010 1475437 2435647 1789550 1171974 1819230 23820488 22965328 22186199 4753338 1975439 3275116 3218948 2116366 214665 20783634 24529624 23196793 1142143 2970562 3216805 2441430 1387413 801390 22063761 22729656 27006984 3302743 2889014 1538043 1658943 2168827 1154264 28894067 20500460 34325632 3854253 5637706 3018760 2702165 3242766 477334 23227823 22077798 23996980 3583048 2639215 4689674 2075365 1479185 1049997 18183263 21275775 23720839 4795674 4549679 3835387 1265235 1620919 1767488 Tyrosine 4731913 5732177 4626473 727759 1632271 1156520 596505 398778 443047 5310348 7170066 6070085 1080258 1061801 1259134 495445 336939 523188 5760613 5756917 4672188 1358315 1385257 963579 991210 582470 131604 4370686 5667041 5221337 852206 923754 970373 674400 367410 511894 5103386 4893567 6363710 948927 802175 1181328 451584 666201 790157 7016152 4498452 8395450 1186965 1589140 892754 692568 792120 304677 5364158 4667204 5408512 1088840 2061237 1467523 664198 547740 379992 4235963 4837975 5286632 1472162 1378018 1234985 367767 361854 513924 Leucine 22371323 24872130 21946950 2577242 7095874 4161749 1829841 1230827 1644362 21679698 29118641 25190435 3456393 1475437 2435647 1789550 1171974 1810929 23820488 22965328 22186199 4753338 1975439 3275116 3213870 2116366 214665 20783634 24529624 23196793 2749501 2970562 3216805 2441430 1378307 2071347 22063761 22729656 27006984 3302743 2888855 3858235 1658943 2168827 2833208 28894067 20500460 34325632 3854253 5637706 3018760 2702165 3242654 477334 23227823 22077798 23996980 3583048 6671771 4689674 2075365 1478179 1049997 18183263 21275775 23720839 4795674 4549679 1416069 1245799 1629698 1767488 Glutamic acid 84820507 94761759 80960744 23143471 21262853 39124847 17699091 14068176 15014023 89786868 112000000 96028778 36079634 40149110 42222955 20839757 15602360 23383509 97826690 91433141 94889545 40027117 40414130 23625969 40162360 31898687 5748355 102000000 102000000 93411936 24674552 27351217 32681954 31275123 23033338 30541035 87901986 89443989 112000000 26190662 19115452 35539351 19718793 19287432 30447311 120000000 92102115 132000000 30723419 43760527 28312988 22991237 36966668 13603441 90839834 94833058 102000000 33338644 52873471 42940609 18357875 8242767 7365902 101000000 101000000 101000000 44242012 45061505 35413386 13341991 14488677 15432911 Aspartic acid 87963488 111000000 82871190 28160997 18852090 45710826 8668992 6766849 8874550 83553645 116000000 114000000 32731512 36403166 35251308 10784873 5383935 10609947 120000000 107000000 98823691 45062927 42282710 25457579 27737076 16788668 3552875 112000000 112000000 106000000 17187526 21976063 23088191 17031236 10864125 14786863 86265051 79328447 103000000 20822404 17317722 29962791 9617934 8058900 16235635 109000000 79839193 82068536 24355068 37238360 20711973 8965615 19142906 5665944 90999859 88663394 104000000 26798957 43845566 37153923 6610654 4287280 3755659 82367528 90009257 98310966 29698433 32445226 27040732 5311371 5739617 5899205 Phenylalanine 5280405 5753995 4921442 733657 2153506 1078264 757496 557386 541054 5665486 6555391 5538301 1040741 934650 1182247 585019 483597 689966 5610458 5332144 5006137 1206650 1251567 1046877 1171875 732019 157964 4678976 5299856 5526114 850322 898474 900362 805270 469795 659736 5490776 5421045 6423219 813219 828894 1065052 565331 872338 1007916 6171382 4982666 8988993 947157 1313191 784941 914457 972137 410718 5319000 4982329 5559219 999485 1729325 1221960 838231 642537 521731 4023172 5029154 5686319 15315 1119427 971872 448593 480853 686326 Gluconic acid 8181107 25306024 11025598 733657 2153506 1078264 4173525 3165062 2916789 10268664 23757054 26091650 1040741 934650 1182247 2175150 2615480 4568902 23787468 21439512 14083282 1206650 1251567 1046877 8811274 5063090 938435 15472055 20557056 19408274 850322 898474 900362 4092715 2536805 4237519 14315023 11316227 16666562 813219 828894 1065052 3577834 4140451 7022895 29050086 13097238 16654012 947157 1313191 784941 4992697 5826188 2119754 19067256 10967012 18300568 999485 1729325 1221960 3422315 2638837 2266417 17440140 14423702 26476126 15315 1119427 971872 2604625 1921032 2948216 Adenosine 1993556 1609799 484982 77817 67827 144307 66460 72181 70669 743401 1116991 929361 68813 91132 78119 85806 77525 85550 845392 894907 2016431 182154 183927 388459 121547 143299 26369 1188584 846825 1017704 103938 122181 97408 102728 56179 81050 1715870 3170209 4221647 71085 90801 106613 153495 62665 143166 2321094 1542419 7223386 64963 79258 125291 239683 237495 123338 1210661 2009431 3016796 153055 166315 136036 67756 30179 36464 1301507 970094 896061 95007 107347 107412 39765 81666 106144 Lactic acid 1529447 36977969 9126571 0 0 0 0 0 0 3075958 11873951 13214744 0 0 0 0 0 0 9410187 9587602 9510249 0 0 0 0 0 0 47148607 28514370 53187676 0 0 0 0 0 0 10557843 11257359 4178232 0 0 0 0 0 0 5146080 7399210 61528891 0 0 0 0 0 0 10018728 8046902 35831105 0 0 0 0 0 0 12643378 1407584 45733543 0 0 0 0 0 0 Fructose 6-phosphate 1097944 8533333 1864796 799005 2147790 0 24223 6968803 7560327 548249 600403 2212951 1407285 2052873 1819973 7307553 2301809 1578902 2460422 2965849 1409802 2126576 2223288 0 6989197 6896512 9043883 1690158 3731572 3190069 1541418 1970836 1553454 6956641 6748581 1598249 3063609 2483552 5244094 8488815 1622011 2098028 1697857 6594237 3780080 1505911 21529830 2031198 1257472 6767739 2311019 1277722 1222031 1275959 3161908 1894366 1712291 1681182 7162236 1588176 7583806 1242396 2129068 3214225 1454652 7176 1918808 20706 1993039 1853249 Hexose 6-phosphate 3851215 4226354 3858721 799005 2147790 0 1800767 2042072 1613088 3909777 5868973 4942475 1407285 2052873 1819973 2087680 2279258 1549229 4321257 4112625 3312374 2126576 2223288 0 5298756 5308073 3308151 4672440 4946826 5038408 1541418 1970836 1553454 1793094 1854077 3939947 3393908 3349316 8488815 1622011 1676581 5262348 5771511 4542899 6866545 2031198 1257472 5087198 147422 2374821 3743435 4108727 4031239 1894366 1712291 1681182 1986997 1547036 1637678 2756308 3915702 4772009 1454652 7176 1918808 1727308 1888277 0 Tryptophan 1350186 1957814 1191958 217790 449875 400730 156266 82031 46085 1166171 2183807 1991548 228736 342782 322346 163442 59677 88355 1807142 1503350 1469446 435996 445543 294779 329850 151196 1192221 1920496 1676498 246581 271265 240511 202185 76221 107611 1397036 1491505 2338790 230871 221265 345432 67589 117347 214708 2322073 1271131 3174285 387789 463615 232012 220894 304840 4839 1633386 1249854 1841411 313458 546904 368217 239164 156222 57748 1482505 1156231 1560890 350444 360061 333094 72974 33266 139030 Ribose 5-phosphate 554329 469781 333284 31903 19555 92260 63891 33911 20830 414724 824051 633573 86900 131372 60449 52830 29678 359722 415828 449811 84192 95839 27231 87983 51845 48224 583192 1155057 494003 91482 86857 103852 59207 54404 12073 441629 529333 857526 66170 54766 136446 41137 57149 905643 604297 558707 44298 65216 21391 101028 113475 32620 390201 685435 700555 68490 60354 69305 80304 37201 79570 884766 783505 1026587 133804 121302 0 27185 35285 23906 N-acetyl-D-glucosamine 1-phosphate 691000000 944000000 665000000 44306242 25467775 23561141 27185831 23473863 40563517 87258245 1190000000 1020000000 17220535 19117950 24941895 20963102 29691183 28110331 937000000 34687972 937000000 19898550 20524317 53792367 34816140 34329463 40543762 811000000 1070000000 956000000 41846970 16490494 17716757 22778465 20291330 26063109 923000000 899000000 1020000000 47210598 58766 49676861 25703287 21776258 32410935 1140000000 1010000000 979000000 62902016 23551700 53000518 33746442 26245329 27873645 981000000 1090000000 1070000000 22021787 16707145 18717157 36508323 46070175 633000000 182000000 1150000000 16783167 15837519 27473966 23767356 19257404 sn-Glycero-3-phosphate 3767410 5678278 3080636 1617739 787295 1593420 1462122 1148697 1122335 5571384 10864757 6631411 3086437 5972875 3627930 2598185 2014436 2936304 3460441 2723467 4342989 1729358 1648136 954038 1893998 2200634 460562 8905332 7892128 7295475 2600432 2947400 4398366 2660249 2337505 3058080 3976241 5173402 7139687 833107 609317 1461143 1080386 1081705 1003909 16131443 8076957 9034326 1395574 5651115 1229207 1135668 2992848 1455229 3945004 5306192 6001001 1884375 2246368 1489480 1608306 782182 1016895 7295530 5297496 7838262 2540540 3656512 2343370 2935563 2398354 2885888 Glutathione 575000000 770000000 552000000 37116162 21231060 29395 13303 15663 0 92546360 985000000 859000000 22042 16601 4850 2800 4799 4049 785000000 7875930 787000000 41345 17750104 44572332 4202 3429 1627 309000000 922000000 777000000 24832 90286 34184 0 9681 6728 764000000 755000000 58309578 39463623 1168858 37380 5070 8022 3775 931000000 864000000 808000000 52244068 12385 44097159 10137 17766 7574 868000000 905000000 910000000 30093 22592 15274 6351 0 12814 12577783 27622562 1020000000 21352 20392 28088 1901 289 5494 NAD+ 9681078 13107818 9657898 1191195 872231 2139634 1191195 872231 2139634 10833045 18201954 16601147 1721850 1869676 1840753 1721850 1869676 1840753 14798760 14292565 13228957 2343951 2192195 1202570 2343951 2192195 1202570 15035587 16233082 12604300 1263637 1416792 1652564 1263637 1416792 1652564 12486596 12767657 17509660 957222 759098 1209664 1116872 1881958 1034769 19851163 12639320 14828951 1116872 1881958 1034769 957222 759098 1209664 13635381 12712623 17401763 1410001 2373126 1739953 1410001 2373126 1739953 12256396 12038510 16295818 1868265 1825121 1539319 1868265 1825121 1539319 GMP 2651697 3451249 1589559 236808 209917 462262 148190 206653 140341 725383 857283 1018352 187608 271664 280602 147461 145146 201630 1396942 1414887 2216733 532717 629327 707462 381071 296068 65649 1006485 972729 2395210 407976 323743 425567 249163 151047 234585 2831714 2352277 5238545 210381 182453 318982 333850 194086 424923 2151110 1205133 5571196 219751 358373 268427 488812 486943 225194 1652289 1988185 2618620 669702 741471 592643 183602 88476 116917 1204778 1117782 1040402 373184 571447 325928 144579 152537 215262 Pantothenic acid 3264254 4559541 3137482 349122 312584 556914 268444 187995 131971 3620160 9551319 4334943 497717 626862 629954 338660 237318 267706 4107844 3923922 3943088 663652 554259 344952 473809 385302 4579877 5978800 4029508 282170 345019 392697 414454 280773 423956 3229734 3919143 7432255 323607 267913 463819 256001 243280 389582 8632572 3342154 5044464 415972 734285 390948 333293 554492 192676 3643208 3754463 4730122 344760 695882 531879 424527 117494 46231 3206733 3847366 5181252 470101 512725 407277 255103 206393 234280 AMP 65144704 41147888 15411450 2142187 1659765 4157386 1123504 1671789 1074157 22511696 40019313 23297938 1401215 1748791 2430846 1359068 1404168 1342683 26102687 32158904 60548012 4902870 6199308 6229243 3280866 2670117 499578 41814710 28469922 39108562 4680518 3220055 4665743 2557719 1630986 2943920 45441806 67817528 204000000 1541364 1943624 3257018 4106305 2204526 4763648 101000000 46631034 71945470 2774643 3013637 2473924 7264159 5713898 2501359 50595254 65709774 120000000 7848252 6573735 6006615 1925698 990645 879040 39974829 33165263 36299168 3599114 6553552 3200337 1061842 1833067 2060486 Oxidized glutathione 88697119 102000000 85328228 10103705 7112632 12490997 10103705 7112632 12490997 88758734 123000000 95320290 11792175 14476052 12316287 11792175 14476052 12316287 112000000 105000000 110000000 16264728 12997745 8911191 16264728 12997745 8911191 97838808 95704042 87910081 8141812 7904381 9291775 8141812 7904381 9291775 103000000 108000000 119000000 7360600 9752644 8495667 9258271 13747180 7182837 112000000 78526356 77610129 9258271 13747180 7182837 7360600 9752644 8495667 103000000 113000000 121000000 7911225 16389090 13218072 7911225 16389090 13218072 60039158 82169256 90051046 16190831 12130604 10220216 16190831 12130604 10220216 Succinic acid 12702245 9427236 7751531 1841649 2021599 2073438 2147211 2225129 2055302 8855640 10495957 9903152 1915968 1894138 1969109 2179088 2234901 2048178 8158693 7450230 8217432 1979122 1926101 2387475 2026815 2039043 1705785 9758897 8970224 8514036 1966025 1995466 1956491 2186353 2181953 2197166 9348292 8158392 8049835 1920115 2086669 2023049 2298186 2241641 2337828 11248239 8140447 7892239 1925103 2088267 1921081 2412653 2102060 2106584 7780313 7417001 8301435 1932373 1962500 1952333 2270289 2258057 2148366 6550920 9058954 10065659 2027788 2064472 2044607 2130772 2050146 2291239 Phosphocreatine 484377 1158225 1062060 142455 199199 200716 122754 97052 62414 999246 1732285 1528583 177899 224185 198443 86040 137053 140624 1548170 1007117 799071 244535 260676 127943 116680 83376 1120711 1795233 1384824 110296 202881 173878 122124 62997 110409 809675 887839 1322386 186085 104255 206387 94351 87468 134634 1508645 815019 1095241 125933 232768 126488 140602 122904 88800 1070936 678496 1180151 176139 355937 269090 202988 35924 64200 874768 1041188 1500114 162738 167553 187303 110043 41893 53054 UDP-N-acetylglucosamine 126000000 163000000 116000000 11111525 7305861 20263229 17565283 14382435 11783572 131000000 205000000 195000000 17381760 18779060 17529748 15748875 13054756 18937788 174000000 185000000 165000000 23850066 22154021 11599813 34133149 25254167 4743954 180000000 194000000 161000000 11933702 13231726 15591411 24476435 16275471 20654164 154000000 162000000 224000000 9850877 7737286 13223650 18956487 17182313 27605842 230000000 154000000 173000000 11934183 19839001 10112771 27695426 30290361 12297247 175000000 172000000 224000000 14692731 27140095 21291762 17294746 10819208 9033725 152000000 144000000 203000000 19959148 20302777 17107048 17169641 12517914 15964058 Malic acid 22774421 24600793 17431623 1367906 1511272 2405356 1225799 1398754 1135104 29743652 62284432 47822113 4955029 4912594 5991742 3589986 2803486 3397703 26211477 26644202 26602161 2482782 2500546 1696584 2306433 2189214 594379 56723452 58929535 42228723 3615785 3996179 4597643 5070764 3553740 4399812 21597774 21114557 32872552 1497968 1337591 2186693 1752396 1662458 2207120 81640653 49966263 59311950 3403401 4951709 3277572 5300276 6987865 3424467 23141528 25740744 29783556 2108883 3128476 2257431 1758118 1002355 799154 36626137 49479515 63335606 5341971 5464025 4632821 3237772 2919462 3606220 Fumaric acid 7650656 8386418 6256970 1458009 1241833 2560322 1135586 1160686 955784 7977245 25740353 17451541 2444411 2744967 3120105 1479768 1046389 1417037 8738245 8897153 8568646 2483751 2528647 1562966 2282861 1948391 478335 18954090 16545703 15457268 1640971 1821141 2094216 2081701 1483972 1903797 7702999 8232189 11118211 1393532 1240742 1740001 1483011 1313353 1937252 18161076 7767838 8375213 1890049 2995449 1818541 2031997 2554911 1253189 7833480 8668893 9548533 1946327 3047478 2441411 1223017 747343 682942 7303653 7730824 9033829 1314331 2696954 2163335 1246446 1226997 1365710 UDP-glucose 20775179 30572013 21060426 1817462 1478854 3625757 3356988 2503081 2033354 18903876 31362615 29781807 2804631 2912689 2849060 2472056 2095491 3145324 32777148 30593161 29368887 4373013 3993523 2281240 5504102 4129694 871312 27276740 28953254 25108167 1908093 2385142 2676792 3569309 2300748 3107333 30336135 28540497 42448326 1540215 1204653 2387945 3637104 2983454 4355718 34869971 24771247 28338090 1862254 3038116 1777523 3544419 4649774 1762626 32487787 30602639 43117056 2553405 4514178 3340898 3497125 1986208 1799030 22769143 22021371 31302416 3081579 2966514 2671178 2259806 1843849 2255924 UDP 6015117 7385283 3272934 347580 240988 793924 157817 319828 113494 3858443 5724102 6683669 292203 402844 419537 345071 244734 180537 5402061 6919394 7784438 893628 860345 353693 781249 611476 142769 6677061 7557284 8051863 508922 490730 587313 687730 385517 566149 6095362 7145630 15371889 276849 279125 516328 693364 427124 907379 10810133 5639917 13737498 470280 624124 327674 1124228 1168851 508216 6525492 6298636 10848392 715608 876070 751962 388692 201934 137649 5227027 3652920 7138412 637403 763320 579941 316685 353470 342668 GDP 2153181 1724152 897758 106895 69423 226812 64414 108281 52016 1351410 2018318 1790689 97423 112302 114242 111139 74506 69810 1677012 1970196 2609974 222770 231576 91039 247840 185476 38146 2186177 2009827 1980468 145674 129881 150150 187077 103168 133794 1868450 2695281 2393902 74526 72357 123469 190751 134435 251780 3121869 1987163 3078910 112912 151426 82315 296328 304192 121970 2350332 2359860 3573321 186176 205015 177334 128576 67077 51879 1788418 1272947 1907548 159416 200388 145134 99213 104898 90769 Phosphoglyceric acid 1324682 1317594 900250 224173 184603 422794 319292 223238 190751 1706742 2854765 2920905 545866 804347 709038 403722 275246 380092 1435409 1300891 1260049 278001 356869 229015 538861 316658 66606 2168851 3163264 2492615 401784 486815 502946 828849 548831 543486 1127168 1216909 2097488 170809 142594 264583 221683 151869 170465 3253682 1840485 1559944 327186 681680 380132 432687 727893 331031 1095494 881173 1673033 312797 397961 278228 240201 97354 89084 2007644 1519589 2480925 490174 600845 428894 375306 342863 341363 NADP+ 300651 304948 191329 21910 14799 40572 21910 14799 40572 221642 348870 355958 20898 24358 31569 20898 24358 31569 251108 338886 295765 52073 44485 25713 52073 44485 25713 293163 342536 318063 27140 28160 29780 27140 28160 29780 256271 293142 462678 12622 12963 28039 20799 38408 21480 434806 235629 492580 20799 38408 21480 12622 12963 28039 303213 276442 442285 30789 48083 38547 30789 48083 38547 232390 344476 404015 30254 34133 30695 30254 34133 30695 NADH 373819 1375774 782675 13421 11312 22734 13421 11312 22734 942045 1563712 1111917 23990 31281 28536 23990 31281 28536 888250 1075094 745037 26256 27262 14234 26256 27262 14234 1428961 1951478 1025895 16250 14814 20419 16250 14814 20419 942958 790480 1188490 10019 25575 21124 22087 27152 21222 1601242 1059383 462903 22087 27152 21222 10019 25575 21124 740392 821102 1296738 20369 45036 38333 20369 45036 38333 1405905 738719 1704990 34129 27578 30548 34129 27578 30548 Fructose 1,6-bisphosphate 2422581 3176191 1473283 358215 289204 572577 153504 140229 96011 6969309 11089707 8572564 665054 1085068 934828 483646 350205 383668 4113667 4105675 3507826 522518 567625 266507 418250 305689 76320 9008271 11864631 7442328 634197 755459 1014616 1362032 897796 963820 2914890 2933743 3923407 321653 178450 371796 287331 281621 459707 13206024 7674054 6222274 559779 930567 534284 1362333 1456400 597585 3490054 3674649 4041411 459919 1090206 616268 314578 86212 80146 7765679 8277775 11439025 1197263 970997 770730 611651 505505 432572 ADP 55033168 54779771 27549245 2973046 2406641 6717474 2156757 3386065 1642605 35651849 49743556 56059024 3184894 3478982 3967024 3181228 2394095 2301329 53578843 61629539 69145937 7531847 7793493 4517968 7706412 5451539 1259650 60195280 56172197 59699600 4185865 4090792 5330734 5931928 3211414 4870559 56972501 66534825 119000000 2547767 2339702 4106563 7043139 4282076 8940309 87416351 54539420 105000000 3717306 5123540 3069393 10594317 9558678 3799967 62626134 63105942 85101648 6082344 7789558 6539975 4222487 2260308 1656380 42973062 39538671 65715486 5614218 7075843 4864858 2910716 3282292 3302886 Citric acid/Isocitric acid 48510069 82997525 67160247 950439 949427 1376101 5188923 4348567 5025579 72057078 323000000 81533361 891660 1501190 1010471 7561332 6749258 4642734 139000000 83102720 101000000 1735661 792022 920617 3586883 4542083 5539165 62984655 119000000 73741654 975943 813252 831835 8688491 7618572 9113218 73896953 67146831 141000000 1276153 3910091 1030439 7749663 2865498 1192153 117000000 116000000 87891508 1035585 1079695 1286876 7221364 7239270 1106862 77587275 54699314 78505916 1245676 916785 1027728 8265292 7385115 3305759 84518833 306000000 99588596 1261275 1210159 1729188 8728768 10791897 1200482 UDP-glucuronic acid 30985717 48863886 34413481 2854956 2846205 6686621 2399639 1669717 1766912 37444057 69562297 64805637 4760877 5317223 5560694 1922008 1716874 2810064 55712444 53568953 50059235 6573172 7111946 3281830 5043261 3786816 844086 49936240 65510653 46616826 3644862 4005811 5094974 3865238 1999879 3025145 45617704 45055301 72130776 2878724 1695013 3277486 2246128 2509008 3723685 84698777 49055101 57435736 2515626 4723746 2620999 3071794 4416695 1794312 51698685 41847771 67042978 4399334 8422263 5532096 2687488 1269644 1325228 40218477 46835985 62450002 5100880 5062367 4643751 2004856 1641422 2236907 UTP 12155832 19970291 14934258 2281222 2400666 1938096 2264764 1922091 3940284 12746810 32320968 16173822 1920089 3483975 1985917 2680132 2426525 3568085 26393099 14777224 25356313 2933276 2208123 1851063 2587562 2090818 2390567 719294 16228493 17152198 3315525 2257166 1731101 3203280 2051683 2112788 19696655 14476529 14684079 3698234 2217079 1935816 2241328 3629404 2490039 16661528 19970384 15847436 2510363 1813152 2014090 2294247 2834095 2703960 20663756 7753312 14208005 2263015 1684383 1866239 4329629 2820090 1990120 12944787 33103375 17111134 3464250 1638810 2603214 3226212 3287395 3306426 FAD 811744 1162184 710241 811745 1162184 717831 811745 1162184 717831 843977 1508918 1269062 853381 1508917 1269061 853381 1508917 1269061 1201925 1233577 1132066 1201925 1233577 1132066 1201925 1233577 1132066 1143262 1353939 1088085 1146852 1356509 1088085 1146852 1356509 1088085 1077550 1135173 1654983 1088629 1135172 1654983 1732051 1010908 1132677 1732049 1010908 1132677 1732051 1010908 1132677 1088629 1135172 1654983 1117562 1042927 1523239 1121519 1042927 1523240 1121519 1042927 1523240 1037162 990330 1593895 1045667 993854 1593894 1045667 993854 1593894 NADPH 206993 1055719 724200 15724 28764 16384 15724 28764 16384 774188 1256617 905391 22138 9113 8638 22138 9113 8638 929380 975431 918521 23065 12692 5434 23065 12692 5434 991650 1389453 701979 24223 10024 61456 24223 10024 61456 1031416 907831 1188618 14859 4749 21438 5743 18960 1255032 1010637 239539 21438 5743 18960 14859 4749 927069 874525 1064589 12828 27341 12828 27341 870607 158125 1147885 22181 6108 22009 22181 6108 22009 GTP 5280044 11450733 5909630 1316425 867419 1393343 1358549 1247049 1335545 6503587 10032599 6655792 1173396 737813 930132 2655326 1459579 1019987 12560590 9934890 8033703 911406 1027451 900034 1024199 1482163 1494968 703605 6015691 9338800 1219491 1254529 1230396 2334514 1954693 1178439 6253472 7459135 11684148 901864 1108436 1081334 1730132 1167413 1530329 7660479 5676174 7569042 1093273 1158084 1373304 2362630 1003321 1489073 6731070 4688710 3092835 1427751 1042306 922534 1396316 2763366 1182825 5806365 11837087 4840764 1289080 1143648 804721 1866088 1067655 1474923 ATP 39842317 72772090 46446839 6427194 4939448 5471101 6549195 5873552 8831188 44331672 102000000 59024926 4924425 6157348 4540246 8029720 6534654 8144224 93281066 57359162 75060960 8071531 7264095 4689262 7964766 7822877 6536553 2228733 59674447 59356004 7777881 5714368 4811587 10089895 6812720 5687887 60887391 54552255 69486314 8365219 6077669 4542138 6530398 8236050 8909522 65738347 67417184 50427352 7599829 6078508 4680562 7386743 8038004 7091929 66183410 29964343 41759671 5251758 4691602 4592103 14606467 9020815 5376594 42523779 118000000 59512331 7102585 5210898 6073510 11776861 6237572 9629701 Acetyl-CoA 1423793 1908198 1088125 57307 59815 94060 50189 50495 47050 1198786 2146426 1735189 85695 75572 94023 22166 0 67397 1607278 1706199 2118660 115751 105735 99906 71357 98831 18300 1797276 1750579 1421975 56390 88767 86000 42727 0 62077 2086235 2190617 3484810 54864 63417 117327 0 42703 53845 3044228 1963023 1698058 51883 85840 54657 27563 74025 0 2108064 2076604 3019985 95927 104373 116493 37485 32688 31043 1521135 1429739 2180459 66726 116740 80287 32153 0 46517 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Tgt_RT_min RT_tolerance_min m/z_tolerance_ppm Formula Abundance metric Histidine 1.18 0.5 20 C6H9N3O2 EicCoreArea Asparagine 1.22 0.5 20 C4H8N2O3 EicCoreArea Glucose 1.25 0.5 20 C6H12O6 EicCoreArea Glutamine 1.29 0.5 20 C5H10N2O3 EicCoreArea Taurine 1.3 0.5 20 C2H7NO3S EicCoreArea Alanine 1.4 0.5 20 C3H7NO2 EicCoreArea Valine 1.44 0.5 20 C5H11NO2 EicCoreArea Methionine 1.8 0.5 20 C5H11NO2S EicCoreArea Hypoxanthine 2.1 0.5 20 C5H4N4O EicCoreArea Xanthine 2.2 0.5 20 C5H4N4O2 EicCoreArea Leucine/Isoleucine 2.2 0.5 20 C6H13NO2 EicCoreArea Tyrosine 2.2 0.5 20 C9H11NO3 EicCoreArea Leucine 2.35 0.5 20 C6H13NO2 EicCoreArea Glutamic acid 3.75 0.5 20 C5H9NO4 EicCoreArea Aspartic acid 4.3 0.5 20 C4H7NO4 EicCoreArea Phenylalanine 4.5 0.5 20 C9H11NO2 EicCoreArea Gluconic acid 5.3 0.5 20 C6H12O7 EicCoreArea Adenosine 5.6 0.5 20 C10H13N5O4 EicCoreArea Lactic acid 6.2 0.5 20 C3H6O3 EicCoreArea Fructose 6-phosphate 6.6 0.5 20 C6H13O9P EicCoreArea Hexose 6-phosphate 6.6 0.5 20 C6H13O9P EicCoreArea Tryptophan 6.6 0.5 20 C11H12N2O2 EicCoreArea Ribose 5-phosphate 6.6 0.5 20 C5H11O8P EicCoreArea N-acetyl-D-glucosamine 1-phosphate 6.7 0.5 20 C8H16NO9P EicCoreArea sn-Glycero-3-phosphate 6.8 0.5 20 C3H9O6P EicCoreArea Glutathione 6.8 0.5 20 C10H17N3O6S EicCoreArea NAD+ 7.2 0.5 20 C21H27N7O14P2 EicCoreArea GMP 8 0.5 20 C10H14N5O8P EicCoreArea Pantothenic acid 8.5 0.5 20 C9H17NO5 EicCoreArea AMP 8.6 0.5 20 C10H14N5O7P EicCoreArea Oxidized glutathione 9 0.5 20 C20H32N6O12S2 EicCoreArea Succinic acid 9.18 0.5 20 C4H6O4 EicCoreArea Phosphocreatine 9.22 0.5 20 C4H10N3O5P EicCoreArea UDP-N-acetylglucosamine 9.3 0.5 20 C17H27N3O17P2 EicCoreArea Malic acid 9.35 0.5 20 C4H6O5 EicCoreArea Fumaric acid 9.38 0.5 20 C4H4O4 EicCoreArea UDP-glucose 9.4 0.5 20 C15H24N2O17P2 EicCoreArea UDP 9.7 0.5 20 C9H14N2O12P2 EicCoreArea GDP 9.7 0.5 20 C10H15N5O11P2 EicCoreArea Phosphoglyceric acid 9.75 0.5 20 C3H7O7P EicCoreArea NADP+ 9.8 0.5 20 C21H28N7O17P3 EicCoreArea NADH 9.9 0.5 20 C21H29N7O14P2 EicCoreArea Fructose 1,6-bisphosphate 9.9 0.5 20 C6H14O12P2 EicCoreArea ADP 9.96 0.5 20 C10H15N5O10P2 EicCoreArea Citric acid/Isocitric acid 10 0.5 20 C6H8O7 EicCoreArea UDP-glucuronic acid 10.6 0.5 20 C15H22N2O18P2 EicCoreArea UTP 10.6 0.5 20 C9H15N2O15P3 EicCoreArea FAD 10.64 0.5 20 C27H33N9O15P2 EicCoreArea NADPH 10.7 0.5 20 C21H30N7O17P3 EicCoreArea GTP 10.7 0.5 20 C10H16N5O14P3 EicCoreArea ATP 10.9 0.5 20 C10H16N5O13P3 EicCoreArea Acetyl-CoA 11.4 0.5 20 C23H38N7O17P3S EicCoreArea METABOLITES_END #END